ar-abietatriene
7-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
 
Notes:
None found
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1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene (Click)
CAS Number: 19407-28-4Picture of molecule
Nikkaji Web: J16.572G
XlogP3-AA: 7.10 (est)
Molecular Weight: 270.45910000
Formula: C20 H30
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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PubMed: Search
NCBI: Search
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Physical Properties:
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 345.00 to  346.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.000060 mm/Hg @ 25.00 °C. (est)
Flash Point: 320.00 °F. TCC ( 160.20 °C. ) (est)
logP (o/w): 8.204 (est)
Soluble in:
 alcohol
 water, 0.004297 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: woody
Odor Strength: medium
Odor Description:
at 100.00 %. 
woody spicy herbal
  
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for ar-abietatriene usage levels up to:
 not for fragrance use.
 
Recommendation for ar-abietatriene flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 86869
National Institute of Allergy and Infectious Diseases: Data
 1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
Chemidplus: 0019407284
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References:
 1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 86869
Pubchem (sid): 135044135
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEBI: View
CHEMBL: View
HMDB (The Human Metabolome Database): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 cedarleaf oil canada @ trace-1.00%
Data  GC  Search Trop  Picture
 herniaria incana lam. oil greece @ 0.20%
Data  GC  Search Trop  Picture
 hyptis suaveolens (l.) poit. oil mali @ 2.20-4.00%
Data  GC  Search Trop  Picture
 rosemary oil CO2 extract @ trace%
Data  GC  Search Trop  Picture
 savin oil @ 0.23%
Data  GC  Search Trop  Picture
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Synonyms:
 dehydroabietan
(4aS-trans)-1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methyl ethyl) phenanthrene
(4aS-E)-1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)phenanthrene
 phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-
 podocarpa-8,11,13-triene, 13-isopropyl-
13-isopropyl podocarpa-8,11,13-triene
7-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
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Articles:
PubMed: Trypanocidal activity of abietane diterpenoids from the roots of Craniolaria annua.
PubMed: In vitro antiprotozoal activity of abietane diterpenoids isolated from Plectranthus barbatus Andr.
PubMed: New abietatriene-type diterpenes linked with lanostenes from oleo-resin of Pinus roxburghii Sarg.
PubMed: Pogostemon hirsutus oil, rich in abietane diterpenes.
PubMed: Inhibition of cholinesterase activity by extracts, fractions and compounds from Calceolaria talcana and C. integrifolia (Calceolariaceae: Scrophulariaceae).
PubMed: Inhibition of cholinesterase activity by extracts, fractions and compounds from Calceolaria talcana and C. integrifolia (Calceolariaceae: Scrophulariaceae).
PubMed: Characterization of CYP76AH4 clarifies phenolic diterpenoid biosynthesis in the Lamiaceae.
PubMed: Chemical composition of the essential oil of Lepidagathis fasciculata from Bondla forest of Goa, India.
PubMed: Tyrosinase inhibitors from Calceolaria integrifolia s.l.: Calceolaria talcana aerial parts.
PubMed: An unusual taxodione derivative from hairy roots of Salvia austriaca.
PubMed: Lycophlegmariols A-D: cytotoxic serratene triterpenoids from the club moss Lycopodium phlegmaria L.
PubMed: ent-Rosane and abietane diterpenoids as cancer chemopreventive agents.
PubMed: Chemical composition of the essential oil of Stachys menthifolia Vis.
PubMed: Isolation, structure, and bioactivities of abiesadines A-Y, 25 new diterpenes from Abies georgei Orr.
PubMed: Trypanocidal activity of abietane diterpenoids from the roots of Craniolaria annua.
PubMed: In vitro anti-inflammatory activity of larch (Larix decidua L.) sawdust.
PubMed: New abietane diterpenoids from the mangrove Avicennia marina.
PubMed: Three abietane diterpenes and two diterpenes incorporated sesquiterpenes from the bark of Cryptomeria japonica.
PubMed: Two new abietane diterpenoids from Salvia yunnanensis.
PubMed: Quinone derivatives by chemical transformations of 16-hydroxycarnosol from Salvia species.
PubMed: Novel domino reactions for diterpene synthesis.
PubMed: Semisynthesis of rosmanol and its derivatives. Easy access to abietatriene diterpenes isolated from the genus Salvia with biological activities.
PubMed: Effects of six diterpenes on macrophage eicosanoid biosynthesis.
PubMed: Chemotaxonomy on the leaf constituents of Thujopsis dolabrata Sieb. et Zucc.-Analysis of neutral extracts (diterpene hydrocarbon).
PubMed: Synthesis of variously oxidized abietane diterpenes and their antibacterial activities against MRSA and VRE.
PubMed: An interpopulation study of the essential oils of Cistus parviflorus L. growing in Crete (Greece).
PubMed: Diterpenoids from the fruits of Vitex trifolia.
PubMed: Extractable components of the aerial parts of Salvia lavandulifolia and composition of the liquid smoke flavoring obtained from them.
PubMed: New glycosides from ajuga decumbens
PubMed: Antimicrobial abietane diterpenoids from Plectranthus elegans.
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